4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide

C14H11BrN2O4 — CID 2828426

IUPAC4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Br)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H11BrN2O4/c1-21-11-6-7-12(13(8-11)17(19)20)16-14(18)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,16,18)
InChIKeyYWWXNZTTWHTYKB-UHFFFAOYSA-N
MW351.16 g/mol
LogP3.62
Rot. Bonds4

About 4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide

4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide (PubChem CID 2828426) has the molecular formula C14H11BrN2O4 and a molecular weight of 351.16 g/mol. Its IUPAC name is 4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide
PubChem CID2828426
Molecular FormulaC14H11BrN2O4
Molecular Weight351.16 g/mol
Exact Mass349.99
IUPAC Name4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Br)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H11BrN2O4/c1-21-11-6-7-12(13(8-11)17(19)20)16-14(18)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,16,18)
InChIKeyYWWXNZTTWHTYKB-UHFFFAOYSA-N
XLogP3.62
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide
CID 3101370
4-bromo-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 60954513
4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide
CID 110492988
N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 31983699
4,5-dibromo-N-(4-methoxy-2-nitrophenyl)thiophene-2-carboxamide
CID 19205153
3,5-ditert-butyl-4-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 23370079
N-(4-methoxy-2-nitrophenyl)-3-methylsulfanylbenzamide
CID 7565243
6-bromo-N-(4-methoxy-2-nitrophenyl)pyridine-2-carboxamide
CID 103889560
3-bromo-N-[(4-methoxy-2-nitrophenyl)carbamothioyl]benzamide
CID 54791565
2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 3620305
2-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2798189
4-bromo-N-(2-methoxy-4-nitrophenyl)benzamide
CID 5234028

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide?
The IUPAC name of 4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide (CID 2828426) is 4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide.
What is the SMILES notation for 4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide?
The canonical SMILES for 4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide is COc1ccc(NC(=O)c2ccc(Br)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide?
The InChIKey is YWWXNZTTWHTYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O4/c1-21-11-6-7-12(13(8-11)17(19)20)16-14(18)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,16,18).
What are the key properties of 4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide?
4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide has a molecular weight of 351.16 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide is sourced from PubChem (CID 2828426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).